N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide

C17H26N2O3S — CID 111452112

IUPACN-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)NCC(C)(O)c2ccsc2)CC1
InChIInChI=1S/C17H26N2O3S/c1-12(2)16(21)19-7-4-13(5-8-19)15(20)18-11-17(3,22)14-6-9-23-10-14/h6,9-10,12-13,22H,4-5,7-8,11H2,1-3H3,(H,18,20)
InChIKeyCTFSYDKLSKKCHZ-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.97
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide

N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 111452112) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID111452112
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)NCC(C)(O)c2ccsc2)CC1
InChIInChI=1S/C17H26N2O3S/c1-12(2)16(21)19-7-4-13(5-8-19)15(20)18-11-17(3,22)14-6-9-23-10-14/h6,9-10,12-13,22H,4-5,7-8,11H2,1-3H3,(H,18,20)
InChIKeyCTFSYDKLSKKCHZ-UHFFFAOYSA-N
XLogP1.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 111452112) is N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide is CC(C)C(=O)N1CCC(C(=O)NCC(C)(O)c2ccsc2)CC1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is CTFSYDKLSKKCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-12(2)16(21)19-7-4-13(5-8-19)15(20)18-11-17(3,22)14-6-9-23-10-14/h6,9-10,12-13,22H,4-5,7-8,11H2,1-3H3,(H,18,20).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 111452112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).